USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HE2:sc= -3.23! C(o=-2.8!,f=-9.5!) USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.387 K(o=-2.8,f=-5.2!) USER MOD Set 2.1: A 69 HIS : no HE2:sc= 0.232 K(o=-0.65,f=-2.3) USER MOD Set 2.2: A 106 HIS : no HD1:sc= -0.882 K(o=-0.65,f=-1.8!) USER MOD Set 3.1: A 35 HIS : no HD1:sc= -1 K(o=-1,f=-2.3!) USER MOD Set 3.2: A 52 HIS : no HE2:sc= 0 X(o=-1,f=-1.4) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-0.77) USER MOD Set 4.2: A 34 HIS : no HE2:sc= 0 X(o=-0.18,f=-0.18) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 15 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.109 USER MOD Single : A 32 THR OG1 : rot -124:sc= -2.49 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.00376) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 170:sc= -0.0176 USER MOD Single : A 48 SER OG : rot 180:sc= -0.384 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -26:sc= -0.605! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-5.5!) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00644 USER MOD Single : A 78 SER OG : rot 137:sc= -4.32! USER MOD Single : A 79 CYS SG : rot 180:sc= 0.0455 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 71:sc= 0.655 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -149:sc= 0.454! USER MOD Single : A 104 LYS NZ :NH3+ -122:sc= -0.62 (180deg=-4.3!) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ALA A 3 3.408 10.544 -15.015 1.00 1.00 N ATOM 26 CA ALA A 3 2.369 9.812 -15.719 1.00 1.00 C ATOM 27 C ALA A 3 2.087 8.500 -14.985 1.00 1.00 C ATOM 28 O ALA A 3 2.993 7.694 -14.776 1.00 1.00 O ATOM 29 CB ALA A 3 2.798 9.587 -17.171 1.00 1.00 C ATOM 0 HA ALA A 3 1.442 10.385 -15.737 1.00 1.00 H new ATOM 0 HB1 ALA A 3 2.019 9.038 -17.700 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.957 10.550 -17.657 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.724 9.013 -17.192 1.00 1.00 H new ATOM 35 N VAL A 4 0.828 8.327 -14.612 1.00 1.00 N ATOM 36 CA VAL A 4 0.415 7.126 -13.905 1.00 1.00 C ATOM 37 C VAL A 4 0.589 5.914 -14.822 1.00 1.00 C ATOM 38 O VAL A 4 0.035 5.839 -15.916 1.00 1.00 O ATOM 39 CB VAL A 4 -1.017 7.287 -13.392 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.022 7.225 -14.544 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.339 6.238 -12.326 1.00 1.00 C ATOM 0 H VAL A 4 0.080 8.998 -14.786 1.00 1.00 H new ATOM 0 HA VAL A 4 1.043 6.964 -13.029 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.098 8.270 -12.929 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.032 7.342 -14.152 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.813 8.026 -15.253 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -1.938 6.263 -15.049 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.363 6.375 -11.978 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.231 5.241 -12.753 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.653 6.350 -11.487 1.00 1.00 H new ATOM 51 N PRO A 5 1.384 4.954 -14.343 1.00 1.00 N ATOM 52 CA PRO A 5 1.686 3.722 -15.040 1.00 1.00 C ATOM 53 C PRO A 5 0.467 2.811 -15.019 1.00 1.00 C ATOM 54 O PRO A 5 -0.023 2.500 -13.934 1.00 1.00 O ATOM 55 CB PRO A 5 2.845 3.105 -14.260 1.00 1.00 C ATOM 56 CG PRO A 5 2.707 3.641 -12.897 1.00 1.00 C ATOM 57 CD PRO A 5 2.051 5.010 -13.061 1.00 1.00 C ATOM 0 HA PRO A 5 1.947 3.879 -16.087 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.790 2.016 -14.265 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.806 3.377 -14.697 1.00 1.00 H new ATOM 0 HG2 PRO A 5 2.096 2.985 -12.277 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.678 3.727 -12.409 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.343 5.207 -12.256 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.793 5.809 -13.036 1.00 1.00 H new ATOM 65 N ASP A 6 0.007 2.407 -16.194 1.00 1.00 N ATOM 66 CA ASP A 6 -1.153 1.536 -16.284 1.00 1.00 C ATOM 67 C ASP A 6 -0.700 0.078 -16.182 1.00 1.00 C ATOM 68 O ASP A 6 -1.481 -0.837 -16.435 1.00 1.00 O ATOM 69 CB ASP A 6 -1.873 1.715 -17.622 1.00 1.00 C ATOM 70 CG ASP A 6 -1.178 1.069 -18.822 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.092 0.484 -18.693 1.00 1.00 O ATOM 72 OD2 ASP A 6 -1.805 1.186 -19.943 1.00 1.00 O ATOM 0 H ASP A 6 0.416 2.667 -17.091 1.00 1.00 H new ATOM 0 HA ASP A 6 -1.832 1.794 -15.471 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -2.877 1.299 -17.536 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -1.985 2.781 -17.817 1.00 1.00 H new ATOM 78 N LYS A 7 0.561 -0.092 -15.812 1.00 1.00 N ATOM 79 CA LYS A 7 1.127 -1.423 -15.673 1.00 1.00 C ATOM 80 C LYS A 7 1.520 -1.656 -14.213 1.00 1.00 C ATOM 81 O LYS A 7 2.649 -1.413 -13.794 1.00 1.00 O ATOM 82 CB LYS A 7 2.281 -1.619 -16.659 1.00 1.00 C ATOM 83 CG LYS A 7 3.146 -0.361 -16.748 1.00 1.00 C ATOM 84 CD LYS A 7 4.607 -0.719 -17.028 1.00 1.00 C ATOM 85 CE LYS A 7 5.529 -0.141 -15.952 1.00 1.00 C ATOM 86 NZ LYS A 7 6.357 0.951 -16.510 1.00 1.00 N ATOM 0 H LYS A 7 1.207 0.670 -15.604 1.00 1.00 H new ATOM 0 HA LYS A 7 0.386 -2.181 -15.929 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.893 -2.464 -16.344 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.884 -1.862 -17.645 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.769 0.289 -17.538 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.077 0.199 -15.815 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.719 -1.803 -17.064 1.00 1.00 H new ATOM 0 HD3 LYS A 7 4.898 -0.335 -18.006 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.935 0.235 -15.119 1.00 1.00 H new ATOM 0 HE3 LYS A 7 6.172 -0.927 -15.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 6.977 1.332 -15.766 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 6.938 0.582 -17.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 5.739 1.708 -16.867 1.00 1.00 H new ATOM 99 N PRO A 8 0.547 -2.141 -13.438 1.00 1.00 N ATOM 100 CA PRO A 8 0.697 -2.437 -12.030 1.00 1.00 C ATOM 101 C PRO A 8 2.034 -3.125 -11.792 1.00 1.00 C ATOM 102 O PRO A 8 2.502 -3.836 -12.681 1.00 1.00 O ATOM 103 CB PRO A 8 -0.466 -3.371 -11.700 1.00 1.00 C ATOM 104 CG PRO A 8 -1.586 -2.743 -12.630 1.00 1.00 C ATOM 105 CD PRO A 8 -0.793 -2.438 -13.898 1.00 1.00 C ATOM 0 HA PRO A 8 0.683 -1.544 -11.405 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.251 -4.410 -11.948 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -0.736 -3.345 -10.644 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.404 -3.440 -12.815 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.025 -1.845 -12.195 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.797 -3.288 -14.580 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.221 -1.594 -14.438 1.00 1.00 H new ATOM 113 N VAL A 9 2.615 -2.905 -10.622 1.00 1.00 N ATOM 114 CA VAL A 9 3.894 -3.513 -10.297 1.00 1.00 C ATOM 115 C VAL A 9 3.693 -4.557 -9.196 1.00 1.00 C ATOM 116 O VAL A 9 2.817 -4.406 -8.345 1.00 1.00 O ATOM 117 CB VAL A 9 4.906 -2.431 -9.916 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.772 -2.043 -11.117 1.00 1.00 C ATOM 119 CG2 VAL A 9 4.203 -1.205 -9.328 1.00 1.00 C ATOM 0 H VAL A 9 2.224 -2.315 -9.888 1.00 1.00 H new ATOM 0 HA VAL A 9 4.302 -4.030 -11.165 1.00 1.00 H new ATOM 0 HB VAL A 9 5.562 -2.841 -9.148 1.00 1.00 H new ATOM 0 HG11 VAL A 9 6.483 -1.272 -10.819 1.00 1.00 H new ATOM 0 HG12 VAL A 9 6.314 -2.919 -11.473 1.00 1.00 H new ATOM 0 HG13 VAL A 9 5.136 -1.661 -11.916 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.945 -0.451 -9.066 1.00 1.00 H new ATOM 0 HG22 VAL A 9 3.512 -0.794 -10.064 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.650 -1.496 -8.435 1.00 1.00 H new ATOM 129 N GLU A 10 4.518 -5.592 -9.248 1.00 1.00 N ATOM 130 CA GLU A 10 4.441 -6.660 -8.265 1.00 1.00 C ATOM 131 C GLU A 10 5.218 -6.278 -7.004 1.00 1.00 C ATOM 132 O GLU A 10 6.229 -5.581 -7.080 1.00 1.00 O ATOM 133 CB GLU A 10 4.955 -7.978 -8.847 1.00 1.00 C ATOM 134 CG GLU A 10 6.476 -8.081 -8.714 1.00 1.00 C ATOM 135 CD GLU A 10 7.169 -6.923 -9.436 1.00 1.00 C ATOM 136 OE1 GLU A 10 6.988 -6.754 -10.651 1.00 1.00 O ATOM 137 OE2 GLU A 10 7.918 -6.185 -8.689 1.00 1.00 O ATOM 0 H GLU A 10 5.243 -5.714 -9.955 1.00 1.00 H new ATOM 0 HA GLU A 10 3.395 -6.803 -7.994 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.484 -8.815 -8.332 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.673 -8.050 -9.897 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.754 -8.075 -7.660 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.818 -9.029 -9.129 1.00 1.00 H new ATOM 145 N VAL A 11 4.716 -6.750 -5.872 1.00 1.00 N ATOM 146 CA VAL A 11 5.351 -6.467 -4.596 1.00 1.00 C ATOM 147 C VAL A 11 5.678 -7.784 -3.891 1.00 1.00 C ATOM 148 O VAL A 11 4.997 -8.171 -2.942 1.00 1.00 O ATOM 149 CB VAL A 11 4.458 -5.547 -3.761 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.194 -5.052 -2.514 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.945 -4.373 -4.597 1.00 1.00 C ATOM 0 H VAL A 11 3.877 -7.327 -5.812 1.00 1.00 H new ATOM 0 HA VAL A 11 6.292 -5.937 -4.746 1.00 1.00 H new ATOM 0 HB VAL A 11 3.595 -6.126 -3.433 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.537 -4.400 -1.938 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.486 -5.905 -1.901 1.00 1.00 H new ATOM 0 HG13 VAL A 11 6.084 -4.498 -2.813 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.313 -3.735 -3.979 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.791 -3.795 -4.969 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.365 -4.752 -5.439 1.00 1.00 H new ATOM 161 N LYS A 12 6.722 -8.437 -4.381 1.00 1.00 N ATOM 162 CA LYS A 12 7.148 -9.703 -3.809 1.00 1.00 C ATOM 163 C LYS A 12 7.675 -9.466 -2.392 1.00 1.00 C ATOM 164 O LYS A 12 8.861 -9.200 -2.204 1.00 1.00 O ATOM 165 CB LYS A 12 8.153 -10.397 -4.731 1.00 1.00 C ATOM 166 CG LYS A 12 9.307 -9.458 -5.089 1.00 1.00 C ATOM 167 CD LYS A 12 9.456 -9.324 -6.606 1.00 1.00 C ATOM 168 CE LYS A 12 10.719 -8.540 -6.966 1.00 1.00 C ATOM 169 NZ LYS A 12 11.871 -9.455 -7.121 1.00 1.00 N ATOM 0 H LYS A 12 7.285 -8.113 -5.167 1.00 1.00 H new ATOM 0 HA LYS A 12 6.303 -10.386 -3.725 1.00 1.00 H new ATOM 0 HB2 LYS A 12 8.544 -11.290 -4.243 1.00 1.00 H new ATOM 0 HB3 LYS A 12 7.651 -10.725 -5.641 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.131 -8.476 -4.649 1.00 1.00 H new ATOM 0 HG3 LYS A 12 10.235 -9.837 -4.661 1.00 1.00 H new ATOM 0 HD2 LYS A 12 9.497 -10.314 -7.060 1.00 1.00 H new ATOM 0 HD3 LYS A 12 8.581 -8.820 -7.018 1.00 1.00 H new ATOM 0 HE2 LYS A 12 10.559 -7.987 -7.892 1.00 1.00 H new ATOM 0 HE3 LYS A 12 10.932 -7.806 -6.189 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 12.720 -8.906 -7.365 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 12.033 -9.964 -6.229 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 11.671 -10.139 -7.878 1.00 1.00 H new ATOM 182 N GLY A 13 6.768 -9.572 -1.432 1.00 1.00 N ATOM 183 CA GLY A 13 7.127 -9.373 -0.038 1.00 1.00 C ATOM 184 C GLY A 13 8.074 -10.472 0.447 1.00 1.00 C ATOM 185 O GLY A 13 8.883 -10.985 -0.325 1.00 1.00 O ATOM 0 H GLY A 13 5.785 -9.793 -1.592 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.602 -8.399 0.083 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.226 -9.367 0.576 1.00 1.00 H new ATOM 189 N SER A 14 7.942 -10.802 1.723 1.00 1.00 N ATOM 190 CA SER A 14 8.776 -11.831 2.320 1.00 1.00 C ATOM 191 C SER A 14 8.529 -13.172 1.627 1.00 1.00 C ATOM 192 O SER A 14 9.447 -13.759 1.057 1.00 1.00 O ATOM 193 CB SER A 14 8.510 -11.952 3.822 1.00 1.00 C ATOM 194 OG SER A 14 8.383 -13.311 4.234 1.00 1.00 O ATOM 0 H SER A 14 7.270 -10.375 2.360 1.00 1.00 H new ATOM 0 HA SER A 14 9.820 -11.547 2.185 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.323 -11.480 4.373 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.598 -11.410 4.074 1.00 1.00 H new ATOM 0 HG SER A 14 8.216 -13.346 5.199 1.00 1.00 H new ATOM 200 N GLN A 15 7.283 -13.618 1.699 1.00 1.00 N ATOM 201 CA GLN A 15 6.903 -14.879 1.086 1.00 1.00 C ATOM 202 C GLN A 15 5.449 -14.823 0.613 1.00 1.00 C ATOM 203 O GLN A 15 4.673 -15.742 0.870 1.00 1.00 O ATOM 204 CB GLN A 15 7.121 -16.046 2.051 1.00 1.00 C ATOM 205 CG GLN A 15 6.898 -17.387 1.349 1.00 1.00 C ATOM 206 CD GLN A 15 7.935 -18.419 1.796 1.00 1.00 C ATOM 207 OE1 GLN A 15 7.615 -19.528 2.193 1.00 1.00 O ATOM 208 NE2 GLN A 15 9.192 -17.995 1.710 1.00 1.00 N ATOM 0 H GLN A 15 6.524 -13.128 2.173 1.00 1.00 H new ATOM 0 HA GLN A 15 7.541 -15.045 0.218 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.133 -16.006 2.453 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.439 -15.956 2.896 1.00 1.00 H new ATOM 0 HG2 GLN A 15 5.896 -17.754 1.569 1.00 1.00 H new ATOM 0 HG3 GLN A 15 6.957 -17.251 0.269 1.00 1.00 H new ATOM 0 HE21 GLN A 15 9.391 -17.054 1.369 1.00 1.00 H new ATOM 0 HE22 GLN A 15 9.958 -18.610 1.985 1.00 1.00 H new ATOM 217 N LYS A 16 5.125 -13.735 -0.071 1.00 1.00 N ATOM 218 CA LYS A 16 3.778 -13.547 -0.582 1.00 1.00 C ATOM 219 C LYS A 16 3.791 -12.453 -1.652 1.00 1.00 C ATOM 220 O LYS A 16 4.010 -11.282 -1.344 1.00 1.00 O ATOM 221 CB LYS A 16 2.802 -13.274 0.565 1.00 1.00 C ATOM 222 CG LYS A 16 1.644 -14.273 0.549 1.00 1.00 C ATOM 223 CD LYS A 16 1.147 -14.559 1.967 1.00 1.00 C ATOM 224 CE LYS A 16 -0.357 -14.840 1.975 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.902 -14.703 3.345 1.00 1.00 N ATOM 0 H LYS A 16 5.772 -12.975 -0.283 1.00 1.00 H new ATOM 0 HA LYS A 16 3.422 -14.459 -1.062 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.328 -13.337 1.518 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.413 -12.259 0.482 1.00 1.00 H new ATOM 0 HG2 LYS A 16 0.826 -13.878 -0.054 1.00 1.00 H new ATOM 0 HG3 LYS A 16 1.967 -15.202 0.079 1.00 1.00 H new ATOM 0 HD2 LYS A 16 1.683 -15.415 2.378 1.00 1.00 H new ATOM 0 HD3 LYS A 16 1.365 -13.707 2.611 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -0.866 -14.148 1.304 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -0.547 -15.846 1.600 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -1.924 -14.897 3.333 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -0.428 -15.380 3.976 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -0.737 -13.735 3.689 1.00 1.00 H new ATOM 238 N THR A 17 3.554 -12.873 -2.886 1.00 1.00 N ATOM 239 CA THR A 17 3.536 -11.943 -4.002 1.00 1.00 C ATOM 240 C THR A 17 2.201 -11.197 -4.053 1.00 1.00 C ATOM 241 O THR A 17 1.139 -11.815 -4.019 1.00 1.00 O ATOM 242 CB THR A 17 3.841 -12.731 -5.278 1.00 1.00 C ATOM 243 OG1 THR A 17 5.153 -13.244 -5.064 1.00 1.00 O ATOM 244 CG2 THR A 17 3.989 -11.827 -6.503 1.00 1.00 C ATOM 0 H THR A 17 3.373 -13.845 -3.137 1.00 1.00 H new ATOM 0 HA THR A 17 4.299 -11.173 -3.888 1.00 1.00 H new ATOM 0 HB THR A 17 3.046 -13.455 -5.456 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.430 -13.770 -5.843 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.205 -12.436 -7.381 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.062 -11.276 -6.663 1.00 1.00 H new ATOM 0 HG23 THR A 17 4.806 -11.124 -6.340 1.00 1.00 H new ATOM 252 N VAL A 18 2.301 -9.878 -4.134 1.00 1.00 N ATOM 253 CA VAL A 18 1.115 -9.041 -4.190 1.00 1.00 C ATOM 254 C VAL A 18 1.344 -7.905 -5.189 1.00 1.00 C ATOM 255 O VAL A 18 2.330 -7.177 -5.092 1.00 1.00 O ATOM 256 CB VAL A 18 0.761 -8.540 -2.788 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.622 -7.885 -2.772 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.841 -9.675 -1.764 1.00 1.00 C ATOM 0 H VAL A 18 3.184 -9.369 -4.162 1.00 1.00 H new ATOM 0 HA VAL A 18 0.259 -9.616 -4.542 1.00 1.00 H new ATOM 0 HB VAL A 18 1.494 -7.783 -2.508 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.849 -7.538 -1.764 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.631 -7.038 -3.458 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.372 -8.612 -3.083 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.585 -9.292 -0.776 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.142 -10.464 -2.040 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.854 -10.078 -1.746 1.00 1.00 H new ATOM 268 N MET A 19 0.416 -7.790 -6.128 1.00 1.00 N ATOM 269 CA MET A 19 0.504 -6.756 -7.145 1.00 1.00 C ATOM 270 C MET A 19 -0.539 -5.662 -6.907 1.00 1.00 C ATOM 271 O MET A 19 -1.703 -5.957 -6.641 1.00 1.00 O ATOM 272 CB MET A 19 0.287 -7.377 -8.526 1.00 1.00 C ATOM 273 CG MET A 19 -1.018 -8.174 -8.569 1.00 1.00 C ATOM 274 SD MET A 19 -1.892 -7.833 -10.088 1.00 1.00 S ATOM 275 CE MET A 19 -1.066 -8.974 -11.184 1.00 1.00 C ATOM 0 H MET A 19 -0.401 -8.396 -6.206 1.00 1.00 H new ATOM 0 HA MET A 19 1.495 -6.305 -7.092 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.263 -6.592 -9.282 1.00 1.00 H new ATOM 0 HB3 MET A 19 1.125 -8.030 -8.771 1.00 1.00 H new ATOM 0 HG2 MET A 19 -0.805 -9.240 -8.494 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.642 -7.912 -7.714 1.00 1.00 H new ATOM 0 HE1 MET A 19 -1.492 -8.891 -12.184 1.00 1.00 H new ATOM 0 HE2 MET A 19 -0.003 -8.737 -11.222 1.00 1.00 H new ATOM 0 HE3 MET A 19 -1.198 -9.992 -10.816 1.00 1.00 H new ATOM 285 N PHE A 20 -0.084 -4.422 -7.011 1.00 1.00 N ATOM 286 CA PHE A 20 -0.964 -3.283 -6.810 1.00 1.00 C ATOM 287 C PHE A 20 -1.204 -2.538 -8.125 1.00 1.00 C ATOM 288 O PHE A 20 -0.279 -2.089 -8.799 1.00 1.00 O ATOM 289 CB PHE A 20 -0.263 -2.345 -5.826 1.00 1.00 C ATOM 290 CG PHE A 20 -0.813 -0.917 -5.828 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.918 -0.613 -5.096 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.197 0.048 -6.563 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.428 0.712 -5.098 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.708 1.373 -6.565 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.813 1.677 -5.832 1.00 1.00 C ATOM 0 H PHE A 20 0.882 -4.181 -7.232 1.00 1.00 H new ATOM 0 HA PHE A 20 -1.930 -3.620 -6.433 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.353 -2.757 -4.821 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.800 -2.314 -6.064 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.408 -1.379 -4.513 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.680 -0.194 -7.145 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.305 0.953 -4.516 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.219 2.139 -7.148 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.202 2.685 -5.833 1.00 1.00 H new ATOM 305 N PRO A 21 -2.485 -2.415 -8.477 1.00 1.00 N ATOM 306 CA PRO A 21 -2.941 -1.747 -9.678 1.00 1.00 C ATOM 307 C PRO A 21 -3.132 -0.264 -9.395 1.00 1.00 C ATOM 308 O PRO A 21 -3.622 0.085 -8.323 1.00 1.00 O ATOM 309 CB PRO A 21 -4.271 -2.416 -10.017 1.00 1.00 C ATOM 310 CG PRO A 21 -4.833 -2.632 -8.554 1.00 1.00 C ATOM 311 CD PRO A 21 -3.597 -2.930 -7.708 1.00 1.00 C ATOM 0 HA PRO A 21 -2.233 -1.825 -10.503 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -4.916 -1.782 -10.625 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.143 -3.353 -10.559 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.355 -1.745 -8.195 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.545 -3.457 -8.520 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.660 -2.447 -6.733 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.491 -4.000 -7.528 1.00 1.00 H new ATOM 319 N HIS A 22 -2.746 0.582 -10.352 1.00 1.00 N ATOM 320 CA HIS A 22 -2.866 2.030 -10.224 1.00 1.00 C ATOM 321 C HIS A 22 -4.259 2.481 -10.701 1.00 1.00 C ATOM 322 O HIS A 22 -4.822 3.429 -10.156 1.00 1.00 O ATOM 323 CB HIS A 22 -1.697 2.693 -10.968 1.00 1.00 C ATOM 324 CG HIS A 22 -0.476 3.036 -10.147 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.663 2.341 -10.226 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.255 4.030 -9.223 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.559 2.880 -9.384 1.00 1.00 C ATOM 328 NE2 HIS A 22 1.044 3.926 -8.740 1.00 1.00 N ATOM 0 H HIS A 22 -2.341 0.279 -11.238 1.00 1.00 H new ATOM 0 HA HIS A 22 -2.794 2.347 -9.183 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.388 2.030 -11.776 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.064 3.609 -11.431 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -0.977 4.774 -8.920 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.566 2.513 -9.247 1.00 1.00 H new ATOM 0 HE2 HIS A 22 1.501 4.519 -8.047 1.00 1.00 H new ATOM 336 N ALA A 23 -4.767 1.783 -11.706 1.00 1.00 N ATOM 337 CA ALA A 23 -6.075 2.103 -12.253 1.00 1.00 C ATOM 338 C ALA A 23 -7.078 2.255 -11.109 1.00 1.00 C ATOM 339 O ALA A 23 -7.754 3.271 -10.964 1.00 1.00 O ATOM 340 CB ALA A 23 -6.489 1.020 -13.252 1.00 1.00 C ATOM 0 H ALA A 23 -4.297 0.997 -12.156 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.045 3.050 -12.792 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.470 1.259 -13.663 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.759 0.972 -14.060 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.533 0.056 -12.746 1.00 1.00 H new ATOM 346 N PRO A 24 -7.161 1.205 -10.288 1.00 1.00 N ATOM 347 CA PRO A 24 -8.041 1.134 -9.141 1.00 1.00 C ATOM 348 C PRO A 24 -7.659 2.212 -8.137 1.00 1.00 C ATOM 349 O PRO A 24 -8.372 2.394 -7.152 1.00 1.00 O ATOM 350 CB PRO A 24 -7.815 -0.260 -8.560 1.00 1.00 C ATOM 351 CG PRO A 24 -7.205 -1.087 -9.733 1.00 1.00 C ATOM 352 CD PRO A 24 -6.382 -0.006 -10.429 1.00 1.00 C ATOM 0 HA PRO A 24 -9.088 1.296 -9.399 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.139 -0.227 -7.706 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -8.749 -0.699 -8.211 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.590 -1.916 -9.382 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -7.969 -1.511 -10.384 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.400 0.100 -9.968 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.217 -0.250 -11.479 1.00 1.00 H new ATOM 360 N HIS A 25 -6.549 2.904 -8.396 1.00 1.00 N ATOM 361 CA HIS A 25 -6.057 3.965 -7.525 1.00 1.00 C ATOM 362 C HIS A 25 -5.689 5.201 -8.367 1.00 1.00 C ATOM 363 O HIS A 25 -4.674 5.846 -8.107 1.00 1.00 O ATOM 364 CB HIS A 25 -4.904 3.414 -6.673 1.00 1.00 C ATOM 365 CG HIS A 25 -5.212 2.218 -5.804 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.023 0.961 -6.216 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.706 2.130 -4.524 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.384 0.123 -5.232 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.814 0.792 -4.164 1.00 1.00 N ATOM 0 H HIS A 25 -5.967 2.742 -9.218 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.827 4.300 -6.830 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.085 3.147 -7.341 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.542 4.217 -6.031 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.663 0.684 -7.129 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -5.969 2.969 -3.897 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.332 -0.954 -5.298 1.00 1.00 H new ATOM 377 N GLU A 26 -6.530 5.488 -9.350 1.00 1.00 N ATOM 378 CA GLU A 26 -6.301 6.628 -10.220 1.00 1.00 C ATOM 379 C GLU A 26 -7.193 7.800 -9.804 1.00 1.00 C ATOM 380 O GLU A 26 -7.237 8.823 -10.486 1.00 1.00 O ATOM 381 CB GLU A 26 -6.535 6.255 -11.686 1.00 1.00 C ATOM 382 CG GLU A 26 -6.679 7.506 -12.554 1.00 1.00 C ATOM 383 CD GLU A 26 -6.397 7.189 -14.024 1.00 1.00 C ATOM 384 OE1 GLU A 26 -5.923 6.088 -14.341 1.00 1.00 O ATOM 385 OE2 GLU A 26 -6.690 8.134 -14.852 1.00 1.00 O ATOM 0 H GLU A 26 -7.371 4.951 -9.563 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.260 6.934 -10.119 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.703 5.651 -12.048 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.434 5.644 -11.770 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -7.686 7.910 -12.452 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -5.990 8.276 -12.206 1.00 1.00 H new ATOM 393 N LYS A 27 -7.880 7.612 -8.688 1.00 1.00 N ATOM 394 CA LYS A 27 -8.768 8.641 -8.173 1.00 1.00 C ATOM 395 C LYS A 27 -8.335 9.019 -6.755 1.00 1.00 C ATOM 396 O LYS A 27 -8.941 9.886 -6.127 1.00 1.00 O ATOM 397 CB LYS A 27 -10.226 8.189 -8.271 1.00 1.00 C ATOM 398 CG LYS A 27 -10.916 8.822 -9.481 1.00 1.00 C ATOM 399 CD LYS A 27 -12.390 9.107 -9.186 1.00 1.00 C ATOM 400 CE LYS A 27 -13.101 9.655 -10.424 1.00 1.00 C ATOM 401 NZ LYS A 27 -14.052 10.724 -10.045 1.00 1.00 N ATOM 0 H LYS A 27 -7.840 6.762 -8.125 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.697 9.544 -8.780 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.269 7.103 -8.350 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.758 8.463 -7.360 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.409 9.749 -9.749 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -10.836 8.155 -10.340 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -12.882 8.192 -8.855 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.469 9.825 -8.369 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -12.367 10.046 -11.129 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -13.633 8.850 -10.931 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -14.526 11.085 -10.897 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -14.763 10.340 -9.390 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.536 11.499 -9.581 1.00 1.00 H new ATOM 414 N VAL A 28 -7.290 8.349 -6.291 1.00 1.00 N ATOM 415 CA VAL A 28 -6.770 8.603 -4.958 1.00 1.00 C ATOM 416 C VAL A 28 -5.508 9.462 -5.064 1.00 1.00 C ATOM 417 O VAL A 28 -4.567 9.104 -5.771 1.00 1.00 O ATOM 418 CB VAL A 28 -6.533 7.280 -4.227 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.077 7.523 -2.787 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.785 6.401 -4.265 1.00 1.00 C ATOM 0 H VAL A 28 -6.789 7.631 -6.814 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.495 9.160 -4.365 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.735 6.749 -4.746 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -5.916 6.566 -2.290 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.147 8.091 -2.791 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.843 8.085 -2.253 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.590 5.467 -3.738 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.611 6.924 -3.783 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.047 6.186 -5.301 1.00 1.00 H new ATOM 430 N GLU A 29 -5.529 10.578 -4.350 1.00 1.00 N ATOM 431 CA GLU A 29 -4.398 11.490 -4.355 1.00 1.00 C ATOM 432 C GLU A 29 -3.087 10.712 -4.217 1.00 1.00 C ATOM 433 O GLU A 29 -2.926 9.920 -3.289 1.00 1.00 O ATOM 434 CB GLU A 29 -4.533 12.536 -3.247 1.00 1.00 C ATOM 435 CG GLU A 29 -5.003 13.878 -3.814 1.00 1.00 C ATOM 436 CD GLU A 29 -5.517 14.793 -2.702 1.00 1.00 C ATOM 437 OE1 GLU A 29 -5.644 14.357 -1.548 1.00 1.00 O ATOM 438 OE2 GLU A 29 -5.789 15.999 -3.070 1.00 1.00 O ATOM 0 H GLU A 29 -6.311 10.871 -3.764 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.386 12.017 -5.309 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.241 12.186 -2.496 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.574 12.665 -2.745 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.180 14.364 -4.338 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.793 13.711 -4.546 1.00 1.00 H new ATOM 446 N CYS A 30 -2.185 10.964 -5.153 1.00 1.00 N ATOM 447 CA CYS A 30 -0.894 10.297 -5.148 1.00 1.00 C ATOM 448 C CYS A 30 -0.317 10.379 -3.733 1.00 1.00 C ATOM 449 O CYS A 30 -0.074 9.354 -3.098 1.00 1.00 O ATOM 450 CB CYS A 30 0.056 10.896 -6.187 1.00 1.00 C ATOM 451 SG CYS A 30 -0.697 11.212 -7.824 1.00 1.00 S ATOM 0 H CYS A 30 -2.322 11.621 -5.921 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.021 9.251 -5.428 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.452 11.834 -5.798 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.902 10.221 -6.316 1.00 1.00 H new ATOM 0 HG CYS A 30 0.195 11.720 -8.621 1.00 1.00 H new ATOM 456 N VAL A 31 -0.115 11.608 -3.280 1.00 1.00 N ATOM 457 CA VAL A 31 0.428 11.836 -1.952 1.00 1.00 C ATOM 458 C VAL A 31 -0.184 10.830 -0.976 1.00 1.00 C ATOM 459 O VAL A 31 0.537 10.144 -0.252 1.00 1.00 O ATOM 460 CB VAL A 31 0.198 13.290 -1.536 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.266 13.691 -1.729 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.644 13.524 -0.091 1.00 1.00 C ATOM 0 H VAL A 31 -0.318 12.456 -3.809 1.00 1.00 H new ATOM 0 HA VAL A 31 1.506 11.678 -1.947 1.00 1.00 H new ATOM 0 HB VAL A 31 0.807 13.923 -2.182 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.402 14.729 -1.426 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.538 13.581 -2.779 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.902 13.049 -1.120 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.470 14.565 0.179 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.074 12.876 0.575 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.706 13.298 0.003 1.00 1.00 H new ATOM 472 N THR A 32 -1.508 10.775 -0.985 1.00 1.00 N ATOM 473 CA THR A 32 -2.225 9.864 -0.109 1.00 1.00 C ATOM 474 C THR A 32 -1.463 8.545 0.028 1.00 1.00 C ATOM 475 O THR A 32 -1.469 7.928 1.092 1.00 1.00 O ATOM 476 CB THR A 32 -3.641 9.693 -0.662 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.001 10.999 -1.105 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.663 9.377 0.432 1.00 1.00 C ATOM 0 H THR A 32 -2.103 11.347 -1.585 1.00 1.00 H new ATOM 0 HA THR A 32 -2.301 10.265 0.902 1.00 1.00 H new ATOM 0 HB THR A 32 -3.646 8.896 -1.405 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.834 11.275 -0.668 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.651 9.266 -0.014 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.385 8.450 0.933 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.682 10.190 1.158 1.00 1.00 H new ATOM 486 N CYS A 33 -0.825 8.150 -1.064 1.00 1.00 N ATOM 487 CA CYS A 33 -0.060 6.915 -1.079 1.00 1.00 C ATOM 488 C CYS A 33 1.428 7.272 -1.084 1.00 1.00 C ATOM 489 O CYS A 33 2.198 6.772 -0.267 1.00 1.00 O ATOM 490 CB CYS A 33 -0.438 6.030 -2.269 1.00 1.00 C ATOM 491 SG CYS A 33 -1.340 4.549 -1.684 1.00 1.00 S ATOM 0 H CYS A 33 -0.822 8.664 -1.945 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.290 6.331 -0.188 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.058 6.591 -2.968 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.460 5.730 -2.809 1.00 1.00 H new ATOM 0 HG CYS A 33 -1.659 3.805 -2.701 1.00 1.00 H new ATOM 496 N HIS A 34 1.795 8.144 -2.023 1.00 1.00 N ATOM 497 CA HIS A 34 3.171 8.603 -2.182 1.00 1.00 C ATOM 498 C HIS A 34 3.440 9.781 -1.228 1.00 1.00 C ATOM 499 O HIS A 34 3.677 10.902 -1.672 1.00 1.00 O ATOM 500 CB HIS A 34 3.420 8.921 -3.664 1.00 1.00 C ATOM 501 CG HIS A 34 3.418 7.750 -4.620 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.485 6.967 -4.801 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.435 7.255 -5.444 1.00 1.00 C ATOM 504 CE1 HIS A 34 4.181 6.021 -5.703 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.927 6.152 -6.133 1.00 1.00 N ATOM 0 H HIS A 34 1.144 8.551 -2.695 1.00 1.00 H new ATOM 0 HA HIS A 34 3.885 7.828 -1.904 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.659 9.629 -3.992 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.383 9.426 -3.746 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.384 7.071 -4.330 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.438 7.659 -5.541 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.864 5.254 -6.037 1.00 1.00 H new ATOM 513 N HIS A 35 3.395 9.484 0.071 1.00 1.00 N ATOM 514 CA HIS A 35 3.625 10.474 1.117 1.00 1.00 C ATOM 515 C HIS A 35 4.825 11.363 0.738 1.00 1.00 C ATOM 516 O HIS A 35 5.645 10.973 -0.091 1.00 1.00 O ATOM 517 CB HIS A 35 3.777 9.748 2.463 1.00 1.00 C ATOM 518 CG HIS A 35 5.051 8.963 2.671 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.264 9.504 2.519 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.260 7.652 3.028 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.192 8.568 2.770 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.626 7.405 3.089 1.00 1.00 N ATOM 0 H HIS A 35 3.198 8.548 0.425 1.00 1.00 H new ATOM 0 HA HIS A 35 2.777 11.151 1.220 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.700 10.488 3.259 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.935 9.066 2.579 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.484 6.928 3.229 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.258 8.735 2.720 1.00 1.00 H new ATOM 0 HE2 HIS A 35 7.092 6.529 3.325 1.00 1.00 H new ATOM 530 N LEU A 36 4.885 12.530 1.363 1.00 1.00 N ATOM 531 CA LEU A 36 5.965 13.464 1.099 1.00 1.00 C ATOM 532 C LEU A 36 7.177 13.092 1.956 1.00 1.00 C ATOM 533 O LEU A 36 7.024 12.578 3.063 1.00 1.00 O ATOM 534 CB LEU A 36 5.489 14.905 1.300 1.00 1.00 C ATOM 535 CG LEU A 36 4.038 15.191 0.911 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.812 16.691 0.704 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.628 14.375 -0.316 1.00 1.00 C ATOM 0 H LEU A 36 4.203 12.849 2.051 1.00 1.00 H new ATOM 0 HA LEU A 36 6.278 13.398 0.057 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.622 15.168 2.350 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.136 15.565 0.722 1.00 1.00 H new ATOM 0 HG LEU A 36 3.395 14.879 1.734 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.772 16.868 0.428 1.00 1.00 H new ATOM 0 HD12 LEU A 36 4.038 17.224 1.628 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.465 17.051 -0.091 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.592 14.597 -0.571 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.272 14.633 -1.157 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.727 13.312 -0.096 1.00 1.00 H new ATOM 549 N VAL A 37 8.353 13.365 1.412 1.00 1.00 N ATOM 550 CA VAL A 37 9.590 13.065 2.113 1.00 1.00 C ATOM 551 C VAL A 37 10.349 14.367 2.380 1.00 1.00 C ATOM 552 O VAL A 37 10.826 15.013 1.449 1.00 1.00 O ATOM 553 CB VAL A 37 10.410 12.048 1.316 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.779 11.822 1.961 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.649 10.729 1.165 1.00 1.00 C ATOM 0 H VAL A 37 8.476 13.791 0.493 1.00 1.00 H new ATOM 0 HA VAL A 37 9.380 12.607 3.080 1.00 1.00 H new ATOM 0 HB VAL A 37 10.574 12.456 0.319 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.342 11.095 1.375 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.326 12.764 1.993 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.646 11.445 2.975 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.253 10.023 0.595 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.441 10.314 2.151 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.710 10.909 0.641 1.00 1.00 H new ATOM 565 N ASP A 38 10.436 14.712 3.656 1.00 1.00 N ATOM 566 CA ASP A 38 11.129 15.925 4.057 1.00 1.00 C ATOM 567 C ASP A 38 10.542 17.117 3.298 1.00 1.00 C ATOM 568 O ASP A 38 11.277 17.998 2.856 1.00 1.00 O ATOM 569 CB ASP A 38 12.620 15.842 3.727 1.00 1.00 C ATOM 570 CG ASP A 38 13.221 14.437 3.796 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.061 13.722 4.797 1.00 1.00 O ATOM 572 OD2 ASP A 38 13.887 14.077 2.752 1.00 1.00 O ATOM 0 H ASP A 38 10.038 14.173 4.426 1.00 1.00 H new ATOM 0 HA ASP A 38 11.004 16.045 5.133 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.777 16.239 2.724 1.00 1.00 H new ATOM 0 HB3 ASP A 38 13.165 16.488 4.415 1.00 1.00 H new ATOM 578 N GLY A 39 9.223 17.105 3.171 1.00 1.00 N ATOM 579 CA GLY A 39 8.530 18.174 2.473 1.00 1.00 C ATOM 580 C GLY A 39 9.086 18.358 1.059 1.00 1.00 C ATOM 581 O GLY A 39 9.241 19.485 0.591 1.00 1.00 O ATOM 0 H GLY A 39 8.617 16.372 3.540 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.465 17.949 2.422 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.633 19.104 3.032 1.00 1.00 H new ATOM 585 N LYS A 40 9.372 17.234 0.419 1.00 1.00 N ATOM 586 CA LYS A 40 9.907 17.256 -0.931 1.00 1.00 C ATOM 587 C LYS A 40 9.059 16.351 -1.827 1.00 1.00 C ATOM 588 O LYS A 40 9.041 15.135 -1.646 1.00 1.00 O ATOM 589 CB LYS A 40 11.394 16.895 -0.923 1.00 1.00 C ATOM 590 CG LYS A 40 12.054 17.259 -2.255 1.00 1.00 C ATOM 591 CD LYS A 40 12.913 16.105 -2.775 1.00 1.00 C ATOM 592 CE LYS A 40 12.761 15.946 -4.289 1.00 1.00 C ATOM 593 NZ LYS A 40 13.163 14.586 -4.710 1.00 1.00 N ATOM 0 H LYS A 40 9.243 16.301 0.811 1.00 1.00 H new ATOM 0 HA LYS A 40 9.848 18.262 -1.348 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.895 17.420 -0.109 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.512 15.828 -0.734 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.287 17.506 -2.989 1.00 1.00 H new ATOM 0 HG3 LYS A 40 12.672 18.148 -2.128 1.00 1.00 H new ATOM 0 HD2 LYS A 40 13.959 16.286 -2.528 1.00 1.00 H new ATOM 0 HD3 LYS A 40 12.624 15.179 -2.278 1.00 1.00 H new ATOM 0 HE2 LYS A 40 11.727 16.132 -4.578 1.00 1.00 H new ATOM 0 HE3 LYS A 40 13.373 16.688 -4.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 13.430 14.598 -5.715 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 13.974 14.272 -4.140 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 12.368 13.930 -4.571 1.00 1.00 H new ATOM 606 N GLU A 41 8.378 16.980 -2.773 1.00 1.00 N ATOM 607 CA GLU A 41 7.530 16.247 -3.698 1.00 1.00 C ATOM 608 C GLU A 41 8.349 15.198 -4.452 1.00 1.00 C ATOM 609 O GLU A 41 9.020 15.517 -5.433 1.00 1.00 O ATOM 610 CB GLU A 41 6.828 17.198 -4.669 1.00 1.00 C ATOM 611 CG GLU A 41 5.820 18.085 -3.937 1.00 1.00 C ATOM 612 CD GLU A 41 6.069 19.564 -4.241 1.00 1.00 C ATOM 613 OE1 GLU A 41 5.744 20.034 -5.341 1.00 1.00 O ATOM 614 OE2 GLU A 41 6.621 20.232 -3.285 1.00 1.00 O ATOM 0 H GLU A 41 8.396 17.989 -2.919 1.00 1.00 H new ATOM 0 HA GLU A 41 6.759 15.733 -3.124 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.568 17.821 -5.172 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.318 16.623 -5.442 1.00 1.00 H new ATOM 0 HG2 GLU A 41 4.807 17.814 -4.236 1.00 1.00 H new ATOM 0 HG3 GLU A 41 5.892 17.914 -2.863 1.00 1.00 H new ATOM 622 N SER A 42 8.269 13.969 -3.966 1.00 1.00 N ATOM 623 CA SER A 42 8.995 12.871 -4.582 1.00 1.00 C ATOM 624 C SER A 42 8.034 11.728 -4.913 1.00 1.00 C ATOM 625 O SER A 42 6.958 11.591 -4.334 1.00 1.00 O ATOM 626 CB SER A 42 10.118 12.373 -3.670 1.00 1.00 C ATOM 627 OG SER A 42 10.944 11.410 -4.318 1.00 1.00 O ATOM 0 H SER A 42 7.712 13.708 -3.152 1.00 1.00 H new ATOM 0 HA SER A 42 9.447 13.235 -5.504 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.728 13.218 -3.351 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.687 11.934 -2.770 1.00 1.00 H new ATOM 0 HG SER A 42 11.650 11.118 -3.704 1.00 1.00 H new ATOM 633 N TYR A 43 8.452 10.898 -5.871 1.00 1.00 N ATOM 634 CA TYR A 43 7.656 9.766 -6.301 1.00 1.00 C ATOM 635 C TYR A 43 8.555 8.559 -6.525 1.00 1.00 C ATOM 636 O TYR A 43 8.514 7.980 -7.610 1.00 1.00 O ATOM 637 CB TYR A 43 6.909 10.129 -7.581 1.00 1.00 C ATOM 638 CG TYR A 43 5.724 11.037 -7.351 1.00 1.00 C ATOM 639 CD1 TYR A 43 5.926 12.366 -6.960 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.424 10.549 -7.529 1.00 1.00 C ATOM 641 CE1 TYR A 43 4.828 13.207 -6.747 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.326 11.390 -7.316 1.00 1.00 C ATOM 643 CZ TYR A 43 3.527 12.719 -6.925 1.00 1.00 C ATOM 644 OH TYR A 43 2.457 13.540 -6.718 1.00 1.00 O ATOM 0 H TYR A 43 9.342 10.996 -6.360 1.00 1.00 H new ATOM 0 HA TYR A 43 6.928 9.513 -5.530 1.00 1.00 H new ATOM 0 HB2 TYR A 43 7.600 10.614 -8.270 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.567 9.214 -8.064 1.00 1.00 H new ATOM 0 HD1 TYR A 43 6.929 12.742 -6.823 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.269 9.524 -7.831 1.00 1.00 H new ATOM 0 HE1 TYR A 43 4.984 14.232 -6.445 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.323 11.014 -7.453 1.00 1.00 H new ATOM 0 HH TYR A 43 1.654 13.135 -7.108 1.00 1.00 H new ATOM 654 N ALA A 44 9.337 8.205 -5.515 1.00 1.00 N ATOM 655 CA ALA A 44 10.232 7.066 -5.625 1.00 1.00 C ATOM 656 C ALA A 44 9.472 5.788 -5.265 1.00 1.00 C ATOM 657 O ALA A 44 8.662 5.784 -4.339 1.00 1.00 O ATOM 658 CB ALA A 44 11.454 7.290 -4.732 1.00 1.00 C ATOM 0 H ALA A 44 9.369 8.687 -4.617 1.00 1.00 H new ATOM 0 HA ALA A 44 10.591 6.957 -6.648 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.126 6.436 -4.814 1.00 1.00 H new ATOM 0 HB2 ALA A 44 11.975 8.193 -5.049 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.132 7.401 -3.696 1.00 1.00 H new ATOM 664 N LYS A 45 9.761 4.735 -6.015 1.00 1.00 N ATOM 665 CA LYS A 45 9.115 3.454 -5.786 1.00 1.00 C ATOM 666 C LYS A 45 9.664 2.833 -4.499 1.00 1.00 C ATOM 667 O LYS A 45 10.840 2.998 -4.179 1.00 1.00 O ATOM 668 CB LYS A 45 9.260 2.553 -7.014 1.00 1.00 C ATOM 669 CG LYS A 45 10.720 2.147 -7.226 1.00 1.00 C ATOM 670 CD LYS A 45 11.060 2.081 -8.716 1.00 1.00 C ATOM 671 CE LYS A 45 12.507 2.509 -8.967 1.00 1.00 C ATOM 672 NZ LYS A 45 13.403 1.330 -8.968 1.00 1.00 N ATOM 0 H LYS A 45 10.434 4.743 -6.782 1.00 1.00 H new ATOM 0 HA LYS A 45 8.043 3.589 -5.643 1.00 1.00 H new ATOM 0 HB2 LYS A 45 8.645 1.662 -6.890 1.00 1.00 H new ATOM 0 HB3 LYS A 45 8.892 3.074 -7.898 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.376 2.863 -6.731 1.00 1.00 H new ATOM 0 HG3 LYS A 45 10.902 1.176 -6.764 1.00 1.00 H new ATOM 0 HD2 LYS A 45 10.908 1.066 -9.083 1.00 1.00 H new ATOM 0 HD3 LYS A 45 10.384 2.727 -9.276 1.00 1.00 H new ATOM 0 HE2 LYS A 45 12.578 3.028 -9.923 1.00 1.00 H new ATOM 0 HE3 LYS A 45 12.823 3.213 -8.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 14.381 1.638 -9.140 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.347 0.851 -8.047 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.110 0.672 -9.718 1.00 1.00 H new ATOM 685 N CYS A 46 8.786 2.132 -3.797 1.00 1.00 N ATOM 686 CA CYS A 46 9.168 1.486 -2.553 1.00 1.00 C ATOM 687 C CYS A 46 10.462 0.706 -2.795 1.00 1.00 C ATOM 688 O CYS A 46 10.937 0.619 -3.926 1.00 1.00 O ATOM 689 CB CYS A 46 8.052 0.588 -2.016 1.00 1.00 C ATOM 690 SG CYS A 46 7.284 1.166 -0.459 1.00 1.00 S ATOM 0 H CYS A 46 7.811 1.997 -4.066 1.00 1.00 H new ATOM 0 HA CYS A 46 9.338 2.241 -1.785 1.00 1.00 H new ATOM 0 HB2 CYS A 46 7.276 0.502 -2.777 1.00 1.00 H new ATOM 0 HB3 CYS A 46 8.455 -0.412 -1.857 1.00 1.00 H new ATOM 0 HG CYS A 46 6.222 0.459 -0.211 1.00 1.00 H new ATOM 695 N GLY A 47 10.996 0.158 -1.713 1.00 1.00 N ATOM 696 CA GLY A 47 12.226 -0.612 -1.793 1.00 1.00 C ATOM 697 C GLY A 47 13.325 0.184 -2.498 1.00 1.00 C ATOM 698 O GLY A 47 13.992 -0.332 -3.395 1.00 1.00 O ATOM 0 H GLY A 47 10.599 0.232 -0.776 1.00 1.00 H new ATOM 0 HA2 GLY A 47 12.555 -0.884 -0.790 1.00 1.00 H new ATOM 0 HA3 GLY A 47 12.043 -1.542 -2.331 1.00 1.00 H new ATOM 702 N SER A 48 13.482 1.427 -2.067 1.00 1.00 N ATOM 703 CA SER A 48 14.490 2.299 -2.647 1.00 1.00 C ATOM 704 C SER A 48 15.548 2.645 -1.597 1.00 1.00 C ATOM 705 O SER A 48 15.354 2.394 -0.409 1.00 1.00 O ATOM 706 CB SER A 48 13.858 3.576 -3.205 1.00 1.00 C ATOM 707 OG SER A 48 14.841 4.536 -3.583 1.00 1.00 O ATOM 0 H SER A 48 12.928 1.851 -1.323 1.00 1.00 H new ATOM 0 HA SER A 48 14.966 1.771 -3.473 1.00 1.00 H new ATOM 0 HB2 SER A 48 13.242 3.328 -4.069 1.00 1.00 H new ATOM 0 HB3 SER A 48 13.196 4.010 -2.456 1.00 1.00 H new ATOM 0 HG SER A 48 14.398 5.336 -3.936 1.00 1.00 H new ATOM 713 N SER A 49 16.643 3.217 -2.074 1.00 1.00 N ATOM 714 CA SER A 49 17.732 3.600 -1.192 1.00 1.00 C ATOM 715 C SER A 49 17.266 4.696 -0.231 1.00 1.00 C ATOM 716 O SER A 49 16.685 5.693 -0.656 1.00 1.00 O ATOM 717 CB SER A 49 18.947 4.077 -1.991 1.00 1.00 C ATOM 718 OG SER A 49 20.167 3.861 -1.287 1.00 1.00 O ATOM 0 H SER A 49 16.800 3.425 -3.060 1.00 1.00 H new ATOM 0 HA SER A 49 18.030 2.723 -0.617 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.982 3.552 -2.946 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.840 5.139 -2.214 1.00 1.00 H new ATOM 0 HG SER A 49 20.919 4.177 -1.831 1.00 1.00 H new ATOM 724 N GLY A 50 17.539 4.473 1.047 1.00 1.00 N ATOM 725 CA GLY A 50 17.155 5.429 2.071 1.00 1.00 C ATOM 726 C GLY A 50 15.637 5.449 2.261 1.00 1.00 C ATOM 727 O GLY A 50 15.039 6.515 2.405 1.00 1.00 O ATOM 0 H GLY A 50 18.021 3.645 1.396 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.640 5.173 3.013 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.504 6.424 1.794 1.00 1.00 H new ATOM 731 N CYS A 51 15.056 4.258 2.256 1.00 1.00 N ATOM 732 CA CYS A 51 13.620 4.125 2.426 1.00 1.00 C ATOM 733 C CYS A 51 13.337 2.775 3.089 1.00 1.00 C ATOM 734 O CYS A 51 14.109 2.309 3.923 1.00 1.00 O ATOM 735 CB CYS A 51 12.876 4.275 1.097 1.00 1.00 C ATOM 736 SG CYS A 51 13.496 5.742 0.196 1.00 1.00 S ATOM 0 H CYS A 51 15.555 3.376 2.137 1.00 1.00 H new ATOM 0 HA CYS A 51 13.252 4.927 3.066 1.00 1.00 H new ATOM 0 HB2 CYS A 51 13.014 3.380 0.490 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.806 4.375 1.279 1.00 1.00 H new ATOM 0 HG CYS A 51 13.985 6.598 1.044 1.00 1.00 H new ATOM 741 N HIS A 52 12.215 2.175 2.689 1.00 1.00 N ATOM 742 CA HIS A 52 11.780 0.884 3.208 1.00 1.00 C ATOM 743 C HIS A 52 12.396 -0.250 2.368 1.00 1.00 C ATOM 744 O HIS A 52 11.865 -0.597 1.314 1.00 1.00 O ATOM 745 CB HIS A 52 10.245 0.863 3.268 1.00 1.00 C ATOM 746 CG HIS A 52 9.567 2.125 3.750 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.467 2.438 5.045 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.955 3.145 3.061 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.819 3.608 5.159 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.480 4.088 3.964 1.00 1.00 N ATOM 0 H HIS A 52 11.583 2.574 1.995 1.00 1.00 H new ATOM 0 HA HIS A 52 12.135 0.724 4.226 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.869 0.634 2.271 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.941 0.043 3.919 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.824 1.879 5.820 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.859 3.204 1.987 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.601 4.096 6.097 1.00 1.00 H new ATOM 758 N ASP A 53 13.499 -0.789 2.866 1.00 1.00 N ATOM 759 CA ASP A 53 14.183 -1.869 2.174 1.00 1.00 C ATOM 760 C ASP A 53 14.809 -2.812 3.203 1.00 1.00 C ATOM 761 O ASP A 53 16.005 -3.095 3.144 1.00 1.00 O ATOM 762 CB ASP A 53 15.303 -1.330 1.283 1.00 1.00 C ATOM 763 CG ASP A 53 16.529 -0.804 2.032 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.425 -0.323 3.170 1.00 1.00 O ATOM 765 OD2 ASP A 53 17.644 -0.905 1.391 1.00 1.00 O ATOM 0 H ASP A 53 13.936 -0.498 3.740 1.00 1.00 H new ATOM 0 HA ASP A 53 13.452 -2.391 1.557 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.622 -2.123 0.606 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.901 -0.527 0.666 1.00 1.00 H new ATOM 771 N ASP A 54 13.974 -3.273 4.123 1.00 1.00 N ATOM 772 CA ASP A 54 14.431 -4.178 5.163 1.00 1.00 C ATOM 773 C ASP A 54 13.223 -4.872 5.796 1.00 1.00 C ATOM 774 O ASP A 54 12.598 -4.331 6.706 1.00 1.00 O ATOM 775 CB ASP A 54 15.172 -3.420 6.266 1.00 1.00 C ATOM 776 CG ASP A 54 16.604 -3.892 6.526 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.830 -5.018 6.995 1.00 1.00 O ATOM 778 OD2 ASP A 54 17.523 -3.039 6.223 1.00 1.00 O ATOM 0 H ASP A 54 12.983 -3.036 4.169 1.00 1.00 H new ATOM 0 HA ASP A 54 15.106 -4.902 4.707 1.00 1.00 H new ATOM 0 HB2 ASP A 54 15.196 -2.362 6.006 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.603 -3.508 7.192 1.00 1.00 H new ATOM 784 N LEU A 55 12.932 -6.061 5.288 1.00 1.00 N ATOM 785 CA LEU A 55 11.810 -6.835 5.792 1.00 1.00 C ATOM 786 C LEU A 55 12.318 -7.855 6.814 1.00 1.00 C ATOM 787 O LEU A 55 11.637 -8.835 7.109 1.00 1.00 O ATOM 788 CB LEU A 55 11.028 -7.461 4.636 1.00 1.00 C ATOM 789 CG LEU A 55 11.852 -8.259 3.623 1.00 1.00 C ATOM 790 CD1 LEU A 55 11.239 -9.641 3.386 1.00 1.00 C ATOM 791 CD2 LEU A 55 12.026 -7.477 2.320 1.00 1.00 C ATOM 0 H LEU A 55 13.453 -6.507 4.533 1.00 1.00 H new ATOM 0 HA LEU A 55 11.103 -6.187 6.311 1.00 1.00 H new ATOM 0 HB2 LEU A 55 10.266 -8.119 5.053 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.506 -6.666 4.104 1.00 1.00 H new ATOM 0 HG LEU A 55 12.847 -8.415 4.039 1.00 1.00 H new ATOM 0 HD11 LEU A 55 11.843 -10.188 2.662 1.00 1.00 H new ATOM 0 HD12 LEU A 55 11.211 -10.193 4.326 1.00 1.00 H new ATOM 0 HD13 LEU A 55 10.226 -9.528 3.001 1.00 1.00 H new ATOM 0 HD21 LEU A 55 12.615 -8.067 1.618 1.00 1.00 H new ATOM 0 HD22 LEU A 55 11.048 -7.269 1.887 1.00 1.00 H new ATOM 0 HD23 LEU A 55 12.540 -6.538 2.525 1.00 1.00 H new ATOM 803 N THR A 56 13.510 -7.588 7.326 1.00 1.00 N ATOM 804 CA THR A 56 14.117 -8.470 8.308 1.00 1.00 C ATOM 805 C THR A 56 13.907 -7.920 9.721 1.00 1.00 C ATOM 806 O THR A 56 14.246 -8.578 10.703 1.00 1.00 O ATOM 807 CB THR A 56 15.591 -8.647 7.938 1.00 1.00 C ATOM 808 OG1 THR A 56 15.833 -10.038 8.130 1.00 1.00 O ATOM 809 CG2 THR A 56 16.531 -7.965 8.935 1.00 1.00 C ATOM 0 H THR A 56 14.072 -6.773 7.079 1.00 1.00 H new ATOM 0 HA THR A 56 13.645 -9.453 8.302 1.00 1.00 H new ATOM 0 HB THR A 56 15.765 -8.244 6.940 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.766 -10.241 7.911 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.565 -8.121 8.626 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.318 -6.896 8.963 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.381 -8.391 9.927 1.00 1.00 H new ATOM 817 N ALA A 57 13.349 -6.720 9.777 1.00 1.00 N ATOM 818 CA ALA A 57 13.090 -6.075 11.052 1.00 1.00 C ATOM 819 C ALA A 57 11.748 -6.562 11.603 1.00 1.00 C ATOM 820 O ALA A 57 11.663 -6.988 12.753 1.00 1.00 O ATOM 821 CB ALA A 57 13.128 -4.556 10.873 1.00 1.00 C ATOM 0 H ALA A 57 13.069 -6.178 8.960 1.00 1.00 H new ATOM 0 HA ALA A 57 13.860 -6.338 11.777 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.934 -4.072 11.830 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.111 -4.257 10.508 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.367 -4.255 10.153 1.00 1.00 H new ATOM 827 N LYS A 58 10.733 -6.485 10.754 1.00 1.00 N ATOM 828 CA LYS A 58 9.400 -6.913 11.141 1.00 1.00 C ATOM 829 C LYS A 58 8.634 -5.722 11.721 1.00 1.00 C ATOM 830 O LYS A 58 7.407 -5.677 11.656 1.00 1.00 O ATOM 831 CB LYS A 58 9.476 -8.114 12.086 1.00 1.00 C ATOM 832 CG LYS A 58 8.217 -8.978 11.977 1.00 1.00 C ATOM 833 CD LYS A 58 7.775 -9.478 13.354 1.00 1.00 C ATOM 834 CE LYS A 58 8.133 -10.953 13.542 1.00 1.00 C ATOM 835 NZ LYS A 58 8.601 -11.201 14.924 1.00 1.00 N ATOM 0 H LYS A 58 10.808 -6.133 9.800 1.00 1.00 H new ATOM 0 HA LYS A 58 8.843 -7.257 10.270 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.355 -8.714 11.848 1.00 1.00 H new ATOM 0 HB3 LYS A 58 9.595 -7.767 13.112 1.00 1.00 H new ATOM 0 HG2 LYS A 58 7.413 -8.400 11.521 1.00 1.00 H new ATOM 0 HG3 LYS A 58 8.410 -9.828 11.322 1.00 1.00 H new ATOM 0 HD2 LYS A 58 8.253 -8.882 14.132 1.00 1.00 H new ATOM 0 HD3 LYS A 58 6.699 -9.344 13.465 1.00 1.00 H new ATOM 0 HE2 LYS A 58 7.263 -11.574 13.329 1.00 1.00 H new ATOM 0 HE3 LYS A 58 8.909 -11.238 12.832 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 8.840 -12.207 15.034 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 9.444 -10.622 15.114 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 7.849 -10.948 15.596 1.00 1.00 H new ATOM 848 N LYS A 59 9.391 -4.786 12.275 1.00 1.00 N ATOM 849 CA LYS A 59 8.799 -3.598 12.866 1.00 1.00 C ATOM 850 C LYS A 59 9.825 -2.463 12.855 1.00 1.00 C ATOM 851 O LYS A 59 10.993 -2.674 13.177 1.00 1.00 O ATOM 852 CB LYS A 59 8.244 -3.911 14.257 1.00 1.00 C ATOM 853 CG LYS A 59 9.363 -3.944 15.300 1.00 1.00 C ATOM 854 CD LYS A 59 8.791 -3.925 16.719 1.00 1.00 C ATOM 855 CE LYS A 59 8.624 -5.345 17.262 1.00 1.00 C ATOM 856 NZ LYS A 59 9.912 -5.857 17.781 1.00 1.00 N ATOM 0 H LYS A 59 10.409 -4.826 12.327 1.00 1.00 H new ATOM 0 HA LYS A 59 7.946 -3.264 12.275 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.505 -3.159 14.535 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.730 -4.872 14.239 1.00 1.00 H new ATOM 0 HG2 LYS A 59 9.969 -4.839 15.160 1.00 1.00 H new ATOM 0 HG3 LYS A 59 10.022 -3.088 15.158 1.00 1.00 H new ATOM 0 HD2 LYS A 59 9.452 -3.357 17.374 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.827 -3.416 16.720 1.00 1.00 H new ATOM 0 HE2 LYS A 59 7.877 -5.351 18.056 1.00 1.00 H new ATOM 0 HE3 LYS A 59 8.256 -6.001 16.473 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 9.780 -6.822 18.146 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 10.615 -5.869 17.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 10.247 -5.240 18.548 1.00 1.00 H new ATOM 869 N GLY A 60 9.351 -1.284 12.480 1.00 1.00 N ATOM 870 CA GLY A 60 10.213 -0.115 12.423 1.00 1.00 C ATOM 871 C GLY A 60 9.949 0.699 11.155 1.00 1.00 C ATOM 872 O GLY A 60 9.115 0.322 10.333 1.00 1.00 O ATOM 0 H GLY A 60 8.382 -1.113 12.213 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.045 0.508 13.301 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.257 -0.427 12.448 1.00 1.00 H new ATOM 876 N GLU A 61 10.675 1.800 11.035 1.00 1.00 N ATOM 877 CA GLU A 61 10.530 2.671 9.881 1.00 1.00 C ATOM 878 C GLU A 61 11.382 2.157 8.718 1.00 1.00 C ATOM 879 O GLU A 61 11.595 2.869 7.738 1.00 1.00 O ATOM 880 CB GLU A 61 10.896 4.114 10.233 1.00 1.00 C ATOM 881 CG GLU A 61 12.168 4.166 11.082 1.00 1.00 C ATOM 882 CD GLU A 61 12.878 5.512 10.925 1.00 1.00 C ATOM 883 OE1 GLU A 61 12.927 6.302 11.879 1.00 1.00 O ATOM 884 OE2 GLU A 61 13.392 5.725 9.761 1.00 1.00 O ATOM 0 H GLU A 61 11.366 2.109 11.718 1.00 1.00 H new ATOM 0 HA GLU A 61 9.485 2.662 9.572 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.041 4.689 9.319 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.073 4.580 10.776 1.00 1.00 H new ATOM 0 HG2 GLU A 61 11.917 4.004 12.130 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.840 3.360 10.787 1.00 1.00 H new ATOM 892 N LYS A 62 11.846 0.925 8.866 1.00 1.00 N ATOM 893 CA LYS A 62 12.670 0.308 7.840 1.00 1.00 C ATOM 894 C LYS A 62 12.091 -1.062 7.483 1.00 1.00 C ATOM 895 O LYS A 62 12.835 -2.000 7.199 1.00 1.00 O ATOM 896 CB LYS A 62 14.133 0.261 8.285 1.00 1.00 C ATOM 897 CG LYS A 62 14.717 1.670 8.400 1.00 1.00 C ATOM 898 CD LYS A 62 16.015 1.793 7.600 1.00 1.00 C ATOM 899 CE LYS A 62 16.648 3.173 7.791 1.00 1.00 C ATOM 900 NZ LYS A 62 17.691 3.124 8.840 1.00 1.00 N ATOM 0 H LYS A 62 11.667 0.337 9.680 1.00 1.00 H new ATOM 0 HA LYS A 62 12.657 0.907 6.929 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.208 -0.247 9.246 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.716 -0.321 7.571 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.992 2.399 8.037 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.908 1.904 9.447 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.716 1.020 7.916 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.812 1.625 6.542 1.00 1.00 H new ATOM 0 HE2 LYS A 62 17.084 3.513 6.852 1.00 1.00 H new ATOM 0 HE3 LYS A 62 15.881 3.897 8.066 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 18.110 4.068 8.957 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 17.265 2.820 9.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 18.431 2.449 8.562 1.00 1.00 H new ATOM 913 N SER A 63 10.768 -1.135 7.508 1.00 1.00 N ATOM 914 CA SER A 63 10.081 -2.375 7.191 1.00 1.00 C ATOM 915 C SER A 63 8.922 -2.100 6.231 1.00 1.00 C ATOM 916 O SER A 63 8.307 -1.036 6.283 1.00 1.00 O ATOM 917 CB SER A 63 9.568 -3.061 8.459 1.00 1.00 C ATOM 918 OG SER A 63 9.432 -4.469 8.286 1.00 1.00 O ATOM 0 H SER A 63 10.154 -0.355 7.743 1.00 1.00 H new ATOM 0 HA SER A 63 10.792 -3.046 6.710 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.254 -2.861 9.282 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.604 -2.635 8.737 1.00 1.00 H new ATOM 0 HG SER A 63 9.104 -4.871 9.118 1.00 1.00 H new ATOM 924 N LEU A 64 8.658 -3.078 5.377 1.00 1.00 N ATOM 925 CA LEU A 64 7.583 -2.955 4.407 1.00 1.00 C ATOM 926 C LEU A 64 6.406 -3.830 4.842 1.00 1.00 C ATOM 927 O LEU A 64 5.753 -4.492 4.039 1.00 1.00 O ATOM 928 CB LEU A 64 8.094 -3.267 2.999 1.00 1.00 C ATOM 929 CG LEU A 64 7.095 -3.052 1.860 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.795 -1.564 1.667 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.586 -3.710 0.568 1.00 1.00 C ATOM 0 H LEU A 64 9.170 -3.959 5.337 1.00 1.00 H new ATOM 0 HA LEU A 64 7.220 -1.928 4.369 1.00 1.00 H new ATOM 0 HB2 LEU A 64 8.972 -2.650 2.807 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.424 -4.306 2.975 1.00 1.00 H new ATOM 0 HG LEU A 64 6.157 -3.537 2.132 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.082 -1.439 0.852 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.371 -1.156 2.585 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.717 -1.035 1.427 1.00 1.00 H new ATOM 0 HD21 LEU A 64 6.858 -3.542 -0.225 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.543 -3.276 0.280 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.707 -4.781 0.729 1.00 1.00 H new ATOM 943 N TYR A 65 6.147 -3.816 6.151 1.00 1.00 N ATOM 944 CA TYR A 65 5.065 -4.593 6.723 1.00 1.00 C ATOM 945 C TYR A 65 4.258 -3.728 7.681 1.00 1.00 C ATOM 946 O TYR A 65 3.037 -3.849 7.753 1.00 1.00 O ATOM 947 CB TYR A 65 5.640 -5.808 7.446 1.00 1.00 C ATOM 948 CG TYR A 65 4.739 -6.345 8.532 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.719 -7.249 8.211 1.00 1.00 C ATOM 950 CD2 TYR A 65 4.924 -5.941 9.859 1.00 1.00 C ATOM 951 CE1 TYR A 65 2.883 -7.747 9.218 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.088 -6.439 10.866 1.00 1.00 C ATOM 953 CZ TYR A 65 3.068 -7.342 10.545 1.00 1.00 C ATOM 954 OH TYR A 65 2.253 -7.827 11.526 1.00 1.00 O ATOM 0 H TYR A 65 6.678 -3.271 6.830 1.00 1.00 H new ATOM 0 HA TYR A 65 4.401 -4.938 5.930 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.829 -6.598 6.719 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.602 -5.539 7.883 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.577 -7.562 7.187 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.712 -5.245 10.107 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.096 -8.444 8.971 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.230 -6.126 11.890 1.00 1.00 H new ATOM 0 HH TYR A 65 2.518 -7.446 12.389 1.00 1.00 H new ATOM 964 N TYR A 66 4.944 -2.851 8.417 1.00 1.00 N ATOM 965 CA TYR A 66 4.289 -1.973 9.366 1.00 1.00 C ATOM 966 C TYR A 66 3.825 -0.706 8.661 1.00 1.00 C ATOM 967 O TYR A 66 3.269 0.171 9.320 1.00 1.00 O ATOM 968 CB TYR A 66 5.255 -1.639 10.499 1.00 1.00 C ATOM 969 CG TYR A 66 4.660 -0.736 11.552 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.864 -1.276 12.569 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.904 0.642 11.512 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.312 -0.439 13.546 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.352 1.480 12.489 1.00 1.00 C ATOM 974 CZ TYR A 66 3.556 0.939 13.506 1.00 1.00 C ATOM 975 OH TYR A 66 3.019 1.755 14.458 1.00 1.00 O ATOM 0 H TYR A 66 5.956 -2.736 8.367 1.00 1.00 H new ATOM 0 HA TYR A 66 3.416 -2.472 9.786 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.584 -2.565 10.970 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.141 -1.162 10.081 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.676 -2.339 12.600 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.518 1.059 10.727 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.698 -0.856 14.330 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.540 2.543 12.458 1.00 1.00 H new ATOM 0 HH TYR A 66 3.287 2.681 14.284 1.00 1.00 H new ATOM 985 N VAL A 67 4.058 -0.633 7.359 1.00 1.00 N ATOM 986 CA VAL A 67 3.655 0.534 6.591 1.00 1.00 C ATOM 987 C VAL A 67 2.734 0.095 5.451 1.00 1.00 C ATOM 988 O VAL A 67 2.277 0.923 4.664 1.00 1.00 O ATOM 989 CB VAL A 67 4.891 1.292 6.104 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.843 1.592 7.263 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.606 0.519 4.993 1.00 1.00 C ATOM 0 H VAL A 67 4.520 -1.362 6.816 1.00 1.00 H new ATOM 0 HA VAL A 67 3.091 1.227 7.216 1.00 1.00 H new ATOM 0 HB VAL A 67 4.558 2.244 5.690 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.713 2.131 6.889 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.330 2.202 8.007 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.165 0.657 7.721 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.481 1.080 4.665 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.919 -0.454 5.371 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.927 0.380 4.151 1.00 1.00 H new ATOM 1001 N VAL A 68 2.489 -1.206 5.398 1.00 1.00 N ATOM 1002 CA VAL A 68 1.631 -1.764 4.366 1.00 1.00 C ATOM 1003 C VAL A 68 0.254 -2.065 4.963 1.00 1.00 C ATOM 1004 O VAL A 68 -0.774 -1.749 4.366 1.00 1.00 O ATOM 1005 CB VAL A 68 2.294 -2.994 3.743 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.244 -3.985 3.236 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.254 -2.591 2.623 1.00 1.00 C ATOM 0 H VAL A 68 2.869 -1.890 6.053 1.00 1.00 H new ATOM 0 HA VAL A 68 1.486 -1.046 3.559 1.00 1.00 H new ATOM 0 HB VAL A 68 2.876 -3.491 4.520 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.742 -4.850 2.798 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.618 -4.309 4.067 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.623 -3.503 2.481 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.712 -3.484 2.197 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.704 -2.060 1.846 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.031 -1.942 3.026 1.00 1.00 H new ATOM 1017 N HIS A 69 0.274 -2.678 6.146 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.939 -3.045 6.868 1.00 1.00 C ATOM 1019 C HIS A 69 -1.278 -1.957 7.904 1.00 1.00 C ATOM 1020 O HIS A 69 -2.123 -1.101 7.648 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.758 -4.449 7.463 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.271 -5.528 6.524 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.027 -5.756 6.301 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.956 -6.437 5.754 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.146 -6.767 5.426 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.049 -7.225 5.056 1.00 1.00 N ATOM 0 H HIS A 69 1.135 -2.934 6.630 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.800 -3.097 6.201 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.055 -4.378 8.293 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.713 -4.767 7.880 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.801 -5.245 6.726 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -2.031 -6.525 5.700 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.087 -7.158 5.069 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.602 -2.028 9.042 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.823 -1.062 10.104 1.00 1.00 C ATOM 1036 C ALA A 70 -2.102 -0.273 9.813 1.00 1.00 C ATOM 1037 O ALA A 70 -2.060 0.760 9.148 1.00 1.00 O ATOM 1038 CB ALA A 70 0.403 -0.157 10.235 1.00 1.00 C ATOM 0 H ALA A 70 0.098 -2.739 9.251 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.958 -1.568 11.060 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.237 0.568 11.032 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.278 -0.762 10.471 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.569 0.369 9.295 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.208 -0.791 10.326 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.496 -0.149 10.130 1.00 1.00 C ATOM 1046 C ARG A 71 -4.786 0.821 11.277 1.00 1.00 C ATOM 1047 O ARG A 71 -5.940 1.166 11.526 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.621 -1.183 10.048 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.956 -1.738 11.434 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.935 -2.794 11.863 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.607 -3.863 12.635 1.00 1.00 N ATOM 1052 CZ ARG A 71 -5.135 -5.123 12.751 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.983 -5.482 12.146 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.817 -5.998 13.466 1.00 1.00 N ATOM 0 H ARG A 71 -3.239 -1.649 10.877 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.453 0.399 9.189 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.509 -0.726 9.611 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.324 -1.998 9.388 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.972 -0.926 12.161 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.954 -2.175 11.423 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.448 -3.219 10.985 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.155 -2.333 12.468 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.481 -3.634 13.109 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.462 -4.799 11.596 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.634 -6.436 12.239 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.686 -5.718 13.921 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.475 -6.954 13.564 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.719 1.234 11.944 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.844 2.158 13.059 1.00 1.00 C ATOM 1066 C GLY A 72 -3.468 3.580 12.638 1.00 1.00 C ATOM 1067 O GLY A 72 -3.449 3.895 11.449 1.00 1.00 O ATOM 0 H GLY A 72 -2.763 0.946 11.734 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.867 2.145 13.434 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.200 1.835 13.877 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.177 4.401 13.637 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.801 5.782 13.385 1.00 1.00 C ATOM 1073 C GLU A 73 -1.306 5.877 13.074 1.00 1.00 C ATOM 1074 O GLU A 73 -0.475 5.815 13.979 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.173 6.675 14.570 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.454 7.461 14.283 1.00 1.00 C ATOM 1077 CD GLU A 73 -4.335 8.904 14.778 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -5.071 9.309 15.691 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -3.439 9.613 14.181 1.00 1.00 O ATOM 0 H GLU A 73 -3.194 4.136 14.622 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.355 6.137 12.516 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.309 6.064 15.462 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.357 7.367 14.779 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -4.656 7.456 13.212 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.300 6.975 14.769 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.010 6.027 11.791 1.00 1.00 N ATOM 1088 CA LEU A 74 0.371 6.132 11.350 1.00 1.00 C ATOM 1089 C LEU A 74 0.635 7.554 10.851 1.00 1.00 C ATOM 1090 O LEU A 74 -0.292 8.351 10.715 1.00 1.00 O ATOM 1091 CB LEU A 74 0.686 5.049 10.316 1.00 1.00 C ATOM 1092 CG LEU A 74 0.437 3.606 10.758 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.586 2.639 9.582 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.344 3.228 11.931 1.00 1.00 C ATOM 0 H LEU A 74 -1.702 6.078 11.043 1.00 1.00 H new ATOM 0 HA LEU A 74 1.052 5.954 12.182 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.090 5.242 9.424 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.733 5.144 10.027 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.592 3.528 11.109 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.404 1.620 9.924 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.135 2.896 8.806 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.596 2.711 9.177 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.147 2.197 12.226 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.387 3.326 11.631 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.145 3.891 12.773 1.00 1.00 H new ATOM 1106 N LYS A 75 1.905 7.830 10.593 1.00 1.00 N ATOM 1107 CA LYS A 75 2.304 9.142 10.113 1.00 1.00 C ATOM 1108 C LYS A 75 1.409 9.544 8.939 1.00 1.00 C ATOM 1109 O LYS A 75 0.847 10.638 8.928 1.00 1.00 O ATOM 1110 CB LYS A 75 3.798 9.160 9.782 1.00 1.00 C ATOM 1111 CG LYS A 75 4.313 10.595 9.655 1.00 1.00 C ATOM 1112 CD LYS A 75 5.284 10.932 10.789 1.00 1.00 C ATOM 1113 CE LYS A 75 4.556 11.606 11.953 1.00 1.00 C ATOM 1114 NZ LYS A 75 5.410 11.619 13.161 1.00 1.00 N ATOM 0 H LYS A 75 2.671 7.167 10.707 1.00 1.00 H new ATOM 0 HA LYS A 75 2.165 9.892 10.892 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.353 8.638 10.561 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.974 8.622 8.850 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.812 10.722 8.694 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.473 11.289 9.672 1.00 1.00 H new ATOM 0 HD2 LYS A 75 5.771 10.021 11.138 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.069 11.590 10.417 1.00 1.00 H new ATOM 0 HE2 LYS A 75 4.287 12.626 11.680 1.00 1.00 H new ATOM 0 HE3 LYS A 75 3.626 11.077 12.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 4.900 12.080 13.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 5.645 10.642 13.430 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 6.286 12.144 12.962 1.00 1.00 H new ATOM 1127 N HIS A 76 1.305 8.637 7.978 1.00 1.00 N ATOM 1128 CA HIS A 76 0.488 8.883 6.802 1.00 1.00 C ATOM 1129 C HIS A 76 -0.771 8.016 6.861 1.00 1.00 C ATOM 1130 O HIS A 76 -1.368 7.853 7.924 1.00 1.00 O ATOM 1131 CB HIS A 76 1.298 8.666 5.523 1.00 1.00 C ATOM 1132 CG HIS A 76 0.810 9.471 4.342 1.00 1.00 C ATOM 1133 ND1 HIS A 76 0.631 10.843 4.393 1.00 1.00 N ATOM 1134 CD2 HIS A 76 0.465 9.084 3.080 1.00 1.00 C ATOM 1135 CE1 HIS A 76 0.198 11.252 3.209 1.00 1.00 C ATOM 1136 NE2 HIS A 76 0.095 10.161 2.398 1.00 1.00 N ATOM 0 H HIS A 76 1.773 7.731 7.990 1.00 1.00 H new ATOM 0 HA HIS A 76 0.169 9.925 6.788 1.00 1.00 H new ATOM 0 HB2 HIS A 76 2.340 8.921 5.718 1.00 1.00 H new ATOM 0 HB3 HIS A 76 1.272 7.608 5.264 1.00 1.00 H new ATOM 0 HD2 HIS A 76 0.489 8.073 2.700 1.00 1.00 H new ATOM 0 HE1 HIS A 76 -0.033 12.271 2.935 1.00 1.00 H new ATOM 0 HE2 HIS A 76 -0.215 10.171 1.426 1.00 1.00 H new ATOM 1144 N THR A 77 -1.137 7.481 5.705 1.00 1.00 N ATOM 1145 CA THR A 77 -2.314 6.634 5.611 1.00 1.00 C ATOM 1146 C THR A 77 -1.954 5.289 4.977 1.00 1.00 C ATOM 1147 O THR A 77 -1.754 5.203 3.766 1.00 1.00 O ATOM 1148 CB THR A 77 -3.389 7.402 4.839 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.374 8.702 5.422 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.799 6.882 5.124 1.00 1.00 C ATOM 0 H THR A 77 -0.639 7.618 4.825 1.00 1.00 H new ATOM 0 HA THR A 77 -2.710 6.396 6.598 1.00 1.00 H new ATOM 0 HB THR A 77 -3.186 7.333 3.770 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.041 9.267 4.979 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.523 7.461 4.551 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.865 5.833 4.836 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.015 6.981 6.188 1.00 1.00 H new ATOM 1158 N SER A 78 -1.883 4.272 5.824 1.00 1.00 N ATOM 1159 CA SER A 78 -1.551 2.936 5.361 1.00 1.00 C ATOM 1160 C SER A 78 -2.664 2.402 4.458 1.00 1.00 C ATOM 1161 O SER A 78 -3.756 2.967 4.414 1.00 1.00 O ATOM 1162 CB SER A 78 -1.322 1.986 6.539 1.00 1.00 C ATOM 1163 OG SER A 78 -1.485 2.643 7.793 1.00 1.00 O ATOM 0 H SER A 78 -2.050 4.347 6.827 1.00 1.00 H new ATOM 0 HA SER A 78 -0.625 2.993 4.789 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.020 1.152 6.473 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.318 1.567 6.477 1.00 1.00 H new ATOM 0 HG SER A 78 -1.998 2.068 8.399 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.350 1.321 3.761 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.311 0.705 2.861 1.00 1.00 C ATOM 1171 C CYS A 79 -4.516 0.248 3.686 1.00 1.00 C ATOM 1172 O CYS A 79 -5.617 0.774 3.527 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.689 -0.449 2.072 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.030 -0.100 1.382 1.00 1.00 S ATOM 0 H CYS A 79 -1.444 0.855 3.801 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.635 1.433 2.117 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.620 -1.320 2.723 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.359 -0.714 1.254 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.600 -1.144 0.738 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.268 -0.726 4.548 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.319 -1.260 5.398 1.00 1.00 C ATOM 1181 C LEU A 80 -6.065 -0.103 6.066 1.00 1.00 C ATOM 1182 O LEU A 80 -7.209 -0.260 6.489 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.744 -2.275 6.388 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.832 -3.744 5.969 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.196 -4.336 6.328 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.507 -3.911 4.484 1.00 1.00 C ATOM 0 H LEU A 80 -3.354 -1.160 4.677 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.049 -1.809 4.803 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.696 -2.030 6.562 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.262 -2.158 7.340 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.082 -4.304 6.527 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.232 -5.381 6.019 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.349 -4.270 7.405 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.981 -3.779 5.816 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.577 -4.964 4.212 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.216 -3.335 3.889 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.496 -3.553 4.290 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.386 1.032 6.141 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.970 2.214 6.751 1.00 1.00 C ATOM 1200 C ALA A 81 -7.158 2.684 5.908 1.00 1.00 C ATOM 1201 O ALA A 81 -8.308 2.553 6.323 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.898 3.295 6.899 1.00 1.00 C ATOM 0 H ALA A 81 -4.437 1.158 5.789 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.343 1.985 7.749 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.336 4.182 7.357 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.090 2.923 7.529 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.502 3.552 5.916 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.838 3.221 4.740 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.864 3.711 3.835 1.00 1.00 C ATOM 1210 C CYS A 82 -8.932 2.625 3.688 1.00 1.00 C ATOM 1211 O CYS A 82 -10.075 2.805 4.102 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.277 4.121 2.483 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.604 4.745 1.388 1.00 1.00 S ATOM 0 H CYS A 82 -5.883 3.328 4.399 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.317 4.612 4.248 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.519 4.891 2.625 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.782 3.268 2.019 1.00 1.00 H new ATOM 0 HG CYS A 82 -8.095 5.092 0.243 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.520 1.507 3.088 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.396 0.363 2.859 1.00 1.00 C ATOM 1220 C HIS A 83 -10.396 0.231 4.022 1.00 1.00 C ATOM 1221 O HIS A 83 -11.546 -0.149 3.809 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.532 -0.885 2.624 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.942 -1.052 1.242 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.634 -2.248 0.732 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.613 -0.129 0.279 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.133 -2.077 -0.502 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.098 -0.787 -0.831 1.00 1.00 N ATOM 0 H HIS A 83 -7.568 1.372 2.748 1.00 1.00 H new ATOM 0 HA HIS A 83 -10.002 0.498 1.963 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.714 -0.873 3.344 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.137 -1.764 2.844 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.759 -3.144 1.203 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.735 0.940 0.370 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.802 -2.880 -1.144 1.00 1.00 H new ATOM 1235 N SER A 84 -9.921 0.553 5.217 1.00 1.00 N ATOM 1236 CA SER A 84 -10.759 0.474 6.401 1.00 1.00 C ATOM 1237 C SER A 84 -12.049 1.267 6.183 1.00 1.00 C ATOM 1238 O SER A 84 -13.143 0.754 6.410 1.00 1.00 O ATOM 1239 CB SER A 84 -10.018 0.993 7.635 1.00 1.00 C ATOM 1240 OG SER A 84 -10.475 0.371 8.833 1.00 1.00 O ATOM 0 H SER A 84 -8.967 0.869 5.390 1.00 1.00 H new ATOM 0 HA SER A 84 -11.009 -0.573 6.574 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.949 0.813 7.518 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.153 2.072 7.712 1.00 1.00 H new ATOM 0 HG SER A 84 -9.976 0.728 9.598 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.877 2.506 5.746 1.00 1.00 N ATOM 1247 CA LYS A 85 -13.014 3.375 5.495 1.00 1.00 C ATOM 1248 C LYS A 85 -13.827 2.819 4.324 1.00 1.00 C ATOM 1249 O LYS A 85 -15.055 2.888 4.329 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.550 4.819 5.290 1.00 1.00 C ATOM 1251 CG LYS A 85 -11.950 5.390 6.576 1.00 1.00 C ATOM 1252 CD LYS A 85 -12.775 6.573 7.088 1.00 1.00 C ATOM 1253 CE LYS A 85 -11.873 7.646 7.701 1.00 1.00 C ATOM 1254 NZ LYS A 85 -11.938 7.595 9.179 1.00 1.00 N ATOM 0 H LYS A 85 -10.968 2.929 5.559 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.675 3.396 6.361 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.810 4.857 4.491 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.392 5.434 4.973 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -11.910 4.613 7.339 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -10.924 5.710 6.392 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -13.350 7.002 6.268 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -13.491 6.226 7.833 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -10.845 7.497 7.371 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -12.181 8.631 7.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -11.320 8.330 9.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -12.917 7.759 9.489 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -11.623 6.660 9.508 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.109 2.280 3.350 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.749 1.712 2.175 1.00 1.00 C ATOM 1269 C VAL A 86 -14.692 0.587 2.608 1.00 1.00 C ATOM 1270 O VAL A 86 -15.864 0.577 2.235 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.689 1.251 1.173 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.333 0.547 -0.023 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.819 2.424 0.716 1.00 1.00 C ATOM 0 H VAL A 86 -12.091 2.224 3.350 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.352 2.465 1.667 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.043 0.531 1.677 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.557 0.230 -0.720 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.888 -0.325 0.324 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.013 1.234 -0.526 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.074 2.069 0.004 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.446 3.178 0.239 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.317 2.862 1.578 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.145 -0.334 3.388 1.00 1.00 N ATOM 1284 CA VAL A 87 -14.923 -1.460 3.875 1.00 1.00 C ATOM 1285 C VAL A 87 -16.176 -0.941 4.584 1.00 1.00 C ATOM 1286 O VAL A 87 -17.147 -1.677 4.754 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.055 -2.348 4.768 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -14.916 -3.148 5.748 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.174 -3.276 3.929 1.00 1.00 C ATOM 0 H VAL A 87 -13.172 -0.323 3.695 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.255 -2.083 3.044 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.400 -1.699 5.349 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.274 -3.771 6.371 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.480 -2.462 6.380 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.607 -3.781 5.192 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.567 -3.896 4.589 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.804 -3.914 3.309 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.522 -2.680 3.290 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.113 0.322 4.978 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.230 0.948 5.664 1.00 1.00 C ATOM 1301 C ALA A 88 -18.251 1.433 4.632 1.00 1.00 C ATOM 1302 O ALA A 88 -19.204 2.129 4.977 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.714 2.083 6.551 1.00 1.00 C ATOM 0 H ALA A 88 -15.306 0.929 4.835 1.00 1.00 H new ATOM 0 HA ALA A 88 -17.732 0.230 6.312 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.552 2.553 7.066 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.016 1.682 7.286 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.206 2.824 5.934 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.156 -8.716 1.244 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.729 -8.411 -0.111 1.00 1.00 C ATOM 1439 C ASP A 96 -10.673 -7.304 -0.072 1.00 1.00 C ATOM 1440 O ASP A 96 -9.644 -7.400 -0.738 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.902 -7.915 -0.960 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.852 -8.323 -2.433 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -12.220 -7.649 -3.261 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -13.506 -9.395 -2.725 1.00 1.00 O ATOM 0 HA ASP A 96 -11.326 -9.323 -0.550 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.829 -8.290 -0.526 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.939 -6.827 -0.901 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.965 -6.280 0.716 1.00 1.00 N ATOM 1451 CA LEU A 97 -10.053 -5.156 0.851 1.00 1.00 C ATOM 1452 C LEU A 97 -9.153 -5.379 2.068 1.00 1.00 C ATOM 1453 O LEU A 97 -7.991 -4.974 2.068 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.829 -3.839 0.894 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.579 -3.460 -0.385 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -12.115 -2.030 -0.303 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.700 -3.672 -1.619 1.00 1.00 C ATOM 0 H LEU A 97 -11.820 -6.205 1.267 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.401 -5.087 -0.020 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.548 -3.891 1.711 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -10.131 -3.037 1.134 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.440 -4.121 -0.485 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.644 -1.786 -1.225 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.799 -1.946 0.541 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -11.284 -1.337 -0.167 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.257 -3.395 -2.514 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.807 -3.052 -1.541 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.409 -4.720 -1.683 1.00 1.00 H new ATOM 1469 N THR A 98 -9.723 -6.023 3.076 1.00 1.00 N ATOM 1470 CA THR A 98 -8.987 -6.305 4.297 1.00 1.00 C ATOM 1471 C THR A 98 -9.005 -7.805 4.597 1.00 1.00 C ATOM 1472 O THR A 98 -9.232 -8.211 5.735 1.00 1.00 O ATOM 1473 CB THR A 98 -9.586 -5.454 5.418 1.00 1.00 C ATOM 1474 OG1 THR A 98 -10.800 -6.122 5.749 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.040 -4.077 4.929 1.00 1.00 C ATOM 0 H THR A 98 -10.687 -6.358 3.072 1.00 1.00 H new ATOM 0 HA THR A 98 -7.935 -6.039 4.194 1.00 1.00 H new ATOM 0 HB THR A 98 -8.851 -5.332 6.214 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.596 -6.962 6.212 1.00 1.00 H new ATOM 0 HG21 THR A 98 -10.457 -3.514 5.764 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.187 -3.538 4.518 1.00 1.00 H new ATOM 0 HG23 THR A 98 -10.800 -4.197 4.157 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.763 -8.587 3.555 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.749 -10.033 3.692 1.00 1.00 C ATOM 1485 C GLY A 99 -7.316 -10.561 3.785 1.00 1.00 C ATOM 1486 O GLY A 99 -6.489 -10.279 2.918 1.00 1.00 O ATOM 0 H GLY A 99 -8.575 -8.246 2.612 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.306 -10.323 4.583 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.253 -10.488 2.839 1.00 1.00 H new ATOM 1490 N CYS A 100 -7.065 -11.319 4.843 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.747 -11.889 5.059 1.00 1.00 C ATOM 1492 C CYS A 100 -5.515 -12.977 4.009 1.00 1.00 C ATOM 1493 O CYS A 100 -4.380 -13.223 3.604 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.590 -12.427 6.483 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.778 -11.172 7.802 1.00 1.00 S ATOM 0 H CYS A 100 -7.753 -11.551 5.560 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.990 -11.113 4.949 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -6.327 -13.214 6.642 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.606 -12.887 6.576 1.00 1.00 H new ATOM 0 HG CYS A 100 -5.628 -11.737 8.963 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.609 -13.601 3.599 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.540 -14.657 2.604 1.00 1.00 C ATOM 1502 C ALA A 101 -7.782 -14.594 1.712 1.00 1.00 C ATOM 1503 O ALA A 101 -8.746 -13.901 2.032 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.393 -16.010 3.304 1.00 1.00 C ATOM 0 H ALA A 101 -7.549 -13.395 3.938 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.668 -14.524 1.964 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.341 -16.802 2.557 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.481 -16.014 3.901 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.252 -16.179 3.953 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.718 -15.328 0.610 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.825 -15.365 -0.330 1.00 1.00 C ATOM 1512 C LYS A 102 -9.408 -13.958 -0.479 1.00 1.00 C ATOM 1513 O LYS A 102 -10.626 -13.783 -0.469 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.854 -16.415 0.094 1.00 1.00 C ATOM 1515 CG LYS A 102 -10.193 -17.351 -1.068 1.00 1.00 C ATOM 1516 CD LYS A 102 -11.461 -16.891 -1.790 1.00 1.00 C ATOM 1517 CE LYS A 102 -12.601 -17.891 -1.586 1.00 1.00 C ATOM 1518 NZ LYS A 102 -13.275 -18.178 -2.872 1.00 1.00 N ATOM 0 H LYS A 102 -6.916 -15.902 0.348 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.477 -15.673 -1.316 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.464 -16.995 0.931 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.760 -15.921 0.444 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -9.360 -17.380 -1.771 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -10.331 -18.366 -0.694 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -11.761 -15.911 -1.418 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -11.257 -16.779 -2.855 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -12.210 -18.815 -1.159 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -13.321 -17.490 -0.873 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -14.046 -18.858 -2.716 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -13.665 -17.297 -3.264 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -12.589 -18.581 -3.541 1.00 1.00 H new ATOM 1531 N SER A 103 -8.512 -12.992 -0.614 1.00 1.00 N ATOM 1532 CA SER A 103 -8.922 -11.606 -0.765 1.00 1.00 C ATOM 1533 C SER A 103 -8.421 -11.054 -2.101 1.00 1.00 C ATOM 1534 O SER A 103 -8.250 -11.804 -3.061 1.00 1.00 O ATOM 1535 CB SER A 103 -8.404 -10.749 0.391 1.00 1.00 C ATOM 1536 OG SER A 103 -7.126 -10.186 0.107 1.00 1.00 O ATOM 0 H SER A 103 -7.503 -13.141 -0.622 1.00 1.00 H new ATOM 0 HA SER A 103 -10.011 -11.569 -0.749 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.115 -9.949 0.596 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.340 -11.357 1.293 1.00 1.00 H new ATOM 0 HG SER A 103 -6.622 -10.082 0.941 1.00 1.00 H new ATOM 1542 N LYS A 104 -8.200 -9.748 -2.120 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.722 -9.087 -3.322 1.00 1.00 C ATOM 1544 C LYS A 104 -6.249 -8.714 -3.143 1.00 1.00 C ATOM 1545 O LYS A 104 -5.720 -7.886 -3.883 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.619 -7.899 -3.674 1.00 1.00 C ATOM 1547 CG LYS A 104 -8.485 -7.529 -5.152 1.00 1.00 C ATOM 1548 CD LYS A 104 -9.530 -8.259 -5.997 1.00 1.00 C ATOM 1549 CE LYS A 104 -9.187 -9.744 -6.131 1.00 1.00 C ATOM 1550 NZ LYS A 104 -9.800 -10.519 -5.029 1.00 1.00 N ATOM 0 H LYS A 104 -8.343 -9.130 -1.322 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.779 -9.763 -4.176 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -9.657 -8.144 -3.450 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.353 -7.042 -3.055 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -8.602 -6.452 -5.273 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -7.485 -7.782 -5.505 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -10.514 -8.149 -5.540 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.585 -7.804 -6.986 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -9.543 -10.120 -7.090 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -8.105 -9.876 -6.118 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -9.057 -11.021 -4.503 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -10.302 -9.873 -4.387 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -10.472 -11.208 -5.422 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.629 -9.342 -2.155 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.227 -9.086 -1.869 1.00 1.00 C ATOM 1565 C CYS A 105 -3.523 -10.431 -1.678 1.00 1.00 C ATOM 1566 O CYS A 105 -2.510 -10.708 -2.316 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.056 -8.174 -0.652 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.593 -6.489 -1.194 1.00 1.00 S ATOM 0 H CYS A 105 -6.071 -10.027 -1.542 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.773 -8.555 -2.706 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.983 -8.139 -0.080 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.288 -8.576 0.009 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.452 -5.722 -0.154 1.00 1.00 H new ATOM 1573 N HIS A 106 -4.091 -11.243 -0.786 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.562 -12.566 -0.470 1.00 1.00 C ATOM 1575 C HIS A 106 -4.531 -13.649 -0.979 1.00 1.00 C ATOM 1576 O HIS A 106 -5.142 -14.384 -0.206 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.269 -12.637 1.036 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.201 -11.708 1.564 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.936 -11.745 1.133 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.253 -10.710 2.508 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.229 -10.808 1.783 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.993 -10.139 2.644 1.00 1.00 N ATOM 0 H HIS A 106 -4.932 -11.000 -0.263 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.617 -12.751 -0.981 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.195 -12.431 1.573 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.981 -13.660 1.279 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.135 -10.416 3.058 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.823 -10.621 1.628 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.716 -9.378 3.264 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.655 -13.727 -2.306 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.508 -14.674 -2.991 1.00 1.00 C ATOM 1592 C PRO A 107 -5.028 -16.091 -2.708 1.00 1.00 C ATOM 1593 O PRO A 107 -3.858 -16.405 -2.912 1.00 1.00 O ATOM 1594 CB PRO A 107 -5.362 -14.332 -4.472 1.00 1.00 C ATOM 1595 CG PRO A 107 -4.078 -13.589 -4.589 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.951 -12.879 -3.243 1.00 1.00 C ATOM 0 HA PRO A 107 -6.548 -14.620 -2.668 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.349 -15.235 -5.083 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -6.199 -13.725 -4.818 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.240 -14.262 -4.768 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.099 -12.880 -5.416 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.906 -12.758 -2.958 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.389 -11.882 -3.280 1.00 1.00 H new